2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C11H16N4O2 — CID 136956745

IUPAC2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCC(=O)N(C)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-7-12-9(5-10(16)13-7)14-8-3-4-11(17)15(2)6-8/h5,8H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeySHCBMLZEVRARGP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.11
Rot. Bonds2

About 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956745) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956745
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCC(=O)N(C)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-7-12-9(5-10(16)13-7)14-8-3-4-11(17)15(2)6-8/h5,8H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeySHCBMLZEVRARGP-UHFFFAOYSA-N
XLogP0.11
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-Oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 134580135
3-(4-Bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142364678
Methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 142367643
3-(4-Iodo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142385861
(7E)-8-(methylaminomethyl)-5-methylimino-2,6,10,14,19-pentazatricyclo[12.3.1.13,7]nonadeca-3,7-diene-9,13-dione
CID 155701224
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282977
2-(Aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84687782
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-4-(1-piperidinyl)butanamide
CID 136216788
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-4-(1-piperidinyl)butanamide
CID 136216842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956745) is 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is Cc1nc(NC2CCC(=O)N(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is SHCBMLZEVRARGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-12-9(5-10(16)13-7)14-8-3-4-11(17)15(2)6-8/h5,8H,3-4,6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).